Bornane-2,3-dione
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Basic information
- CAS
10334-26-6- Standard SMILES
CC12CCC(C(=O)C1=O)C2(C)C- InChIKey
VNQXSTWCDUXYEZ-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Overview
Bornane-2,3-dione is a bornane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 7 and 7 and oxo groups at positions 2 and 3. It is a bornane monoterpenoid and a carbobicyclic compound.
Names & identifiers
- Preferred name
- Bornane-2,3-dione
- IUPAC
- 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
- English name
- DL-CAMPHORQUINONE
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
Camphorquinone1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione2,3-Bornanedionebornane-2,3-dione465-29-2Camphor quinoneCamphoquinoneCHEBI:346071,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione bornane-2,3-dione1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTANE-2,3-DIONE1,7,7-trimethylbicyclo(2.2.1)heptane-2,3-dione bornane-2,3-dioneRefChem:570022
Show more names
CamphorquinonCAMPHOREQUINONERAC-CAMPHORQUINONELABOTEST-BB LT00146630(+/-)-2,3-BORNANEDIONE
207-363-610373-78-1DL-CAMPHORQUINONE(+/-)-CamphorquinoneBicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-dl-CamphoroquinoneDTXSID70493941,7,7-trimethylnorbornane-2,3-dione
Database identifiers
- CAS
10334-26-6、10373-78-1、465-29-2- PubChem CID
- 25208
- DTXSID
DTXSID7049394
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
LogP1.52
Physicochemical properties
- Melting point
- 197 · 197-203 °C(lit.)
- Boiling point
- 254.44 °C · 254.44°C (rough estimate)
- Density
- 1.006 · 1.0060 (rough estimate)
- refractive index
- 1.4778 · 1.4778 (estimate)
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 465 · 465-29-2(CAS DataBase Reference)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 11.1% (2 of 18) of reports.
Warning
H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Camphorquinone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (88.9%)
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-: ACTIVE
Additional notes
DefinitionChEBI: Bornane-2,3-dione is a bornane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 7 and 7 and oxo groups at positions 2 and 3. It is a bornane monoterpenoid and a carbobicyclic compound.
Related reactions
7 records
Compound notes
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